In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 7th, 2006 | 16 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | -0.02 | 5.17 | -33.03 | 4 | 4 | 0 | 84 | 330.125 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.02 | 4.85 | -43.53 | 3 | 4 | -1 | 82 | 329.117 | 3 | ↓ |